(2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide

C15H18Cl2N2O2 — CID 136584493

IUPAC(2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-18(2)15(21)13-7-4-8-19(13)14(20)9-10-11(16)5-3-6-12(10)17/h3,5-6,13H,4,7-9H2,1-2H3/t13-/m0/s1
InChIKeyQWISTFSECAQZNB-ZDUSSCGKSA-N
MW329.23 g/mol
LogP2.62
Rot. Bonds3

About (2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide

(2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 136584493) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is (2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID136584493
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-18(2)15(21)13-7-4-8-19(13)14(20)9-10-11(16)5-3-6-12(10)17/h3,5-6,13H,4,7-9H2,1-2H3/t13-/m0/s1
InChIKeyQWISTFSECAQZNB-ZDUSSCGKSA-N
XLogP2.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid
CID 43239840
1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 62500743
2-(2,6-dichlorophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260583
2-(2,6-dichlorophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61409223
2-(2,6-dichlorophenyl)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636222
1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 104834158
N,N-dimethyl-1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 166420126
1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134043271
2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 25252634
1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42925962
2-(2-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94161042
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 9200644

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 136584493) is (2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@@H]1CCCN1C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of (2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is QWISTFSECAQZNB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-18(2)15(21)13-7-4-8-19(13)14(20)9-10-11(16)5-3-6-12(10)17/h3,5-6,13H,4,7-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide?
(2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 136584493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).